| SpectraBase Compound ID | LhqPOM8E0FV |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-8-9-11-14(4)20-16(18)12-13-17(19)21-15(7-3)10-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | NNSLEMUGIHOYRI-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 19D7aweG4Lg |
|---|---|
| Name | Succinic acid, hept-2-yl 3-hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-8-9-11-14(4)20-16(18)12-13-17(19)21-15(7-3)10-6-2/h14-15H,5-13H2,1-4H3 |
| InChIKey | NNSLEMUGIHOYRI-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851858 |